N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-4-(mesylmethyl)benzamide Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-4-26-19-10-17-9-14(2)27-20(17)11-18(19)12-22-21(23)16-7-5-15(6-8-16)13-28(3,24)25/h5-8,10-11,14H,4,9,12-13H2,1-3H3,(H,22,23)/t14-/m0/s1